Lythidathion

Base Information

• Chemical Name: Lythidathion
• CAS No.: 2669-32-1
• Molecular Formula: C₇H₁₃N₂O₄PS₃
• Molecular Weight: 316.363
• UNII: 7713KZO795
• DSSTox Substance ID: DTXSID6042101
• Nikkaji Number: J21.245H
• Wikidata: Q27155766
• Mol file: 2669-32-1.mol

Synonyms:Lythidathion;Lythidathion [ISO];2669-32-1;Geigy GS-12968;Caswell No. 427C;Geigy 12968;NC-2962;GS-12968;OMS 958;S-((5-Ethoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl) O,O-dimethyl phosphorodithioate;ENT 27,238;EPA Pesticide Chemical Code 427400;BRN 0621188;AI3-27238;UNII-7713KZO795;7713KZO795;O,O-Dimethyl-S-(5-ethoxy-1,3,4-thiadiazolinyl-3-methyl)dithiophosphate;3-(dimethoxyphosphinothioylsulfanylmethyl)-5-ethoxy-1,3,4-thiadiazol-2-one;O,O-Dimethyl S-(5-ethoxy-1,3,4-thiadiazol-2(3H)-onyl-(3)-methyl)dithiophosphate;O,O-Dimethyl-S-(5-ethoxy-1,3,4-thiadiazol-2(3H)-onyl-(3)-methyl)phosphorodithioate;S-((5-Ethoxy-2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)methyl) O,O-dimethyl phosphorodithioate;Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-ethoxy- 4-(mercaptomethyl)-delta(sup 2)-1,3,4-thiadiazolin-5-one;Phosphorodithioic acid, S-((5-ethoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl) O,O-dimethyl ester;Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-ethoxy-4-(mercaptomethyl)-.delta.2-1,3,4-thiadiazolin-5-one;Phosphorodithioic acid, S-(5-ethoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl O,O-dimethyl ester;Phosphorodithioic acid, S-[(5-ethoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl ester;SCHEMBL116389;C7H13N2O4PS3;DTXSID6042101;CHEBI:82138;GEIGY-12968;OMS-958;C7-H13-N2-O4-P-S3;LS-108218;C19004;Q27155766;O,O-DIMETHYL S-(5-ETHOXY-1,3,4-THIADIAZOL-2(3H)-ONYL-(3)-METHYL) DITHIOPHOSPHATE;S-5-ETHOXY-2,3-DIHYDRO-2-OXO-1,3,4-THIADIAZOL-3-YLMETHYL O,O-DIMETHYL PHOSPHORODITHIOATE

Chemical Property of Lythidathion

Chemical Property:

• Vapor Pressure: 1.97E-05mmHg at 25°C
• Boiling Point: 362.2°Cat760mmHg
• Flash Point: 172.8°C
• PSA: 158.02000
• Density: 1.54g/cm³
• LogP: 2.56210
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 315.97750742
• Heavy Atom Count: 17
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NN(C(=O)S1)CSP(=S)(OC)OC

Technology Process of Lythidathion

There total 2 articles about Lythidathion which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 5-ethoxy-3H-[1,3,4]thiadiazol-2-one (37158-81-9) + O,O-dimethyl phosphorodithioic acid (756-80-9) → lythidathion (2669-32-1)

Guidance literature:

Multistep reaction; (i) aq. H₂SO₄, (ii) /BRN= 1209228/;

DOI:10.1002/hlca.19740570619

Reference yield:

→ lythidathion (2669-32-1)

Guidance literature:

3-Hydroxymethylthiadiazol, Dithiophosphorsaeure O,O-dimethylester-K-Salz;

upstream raw materials:

formaldehyd

5-ethoxy-3H-[1,3,4]thiadiazol-2-one

O,O-dimethyl phosphorodithioic acid